Vitas-M small molecule compound
2-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL359486
SMILES N#Cc1c(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)I)C)sc2c1CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H17IN4OS MW 488.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN4OS/c1-12-17(20(26)25(24-12)14-8-6-13(21)7-9-14)11-23-19-16(10-22)15-4-2-3-5-18(15)27-19/h6-9,11,23H,2-5H2,1H3/b17-11+InChIKey
MOEDTTYMRIWCHO-GZTJUZNOSA-NSynonyms
2(((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C#N)C4=CC=C(C=C4)I
InChI=1SC20H17IN4OSc11217(20(26)25(2412)148613(21)7914)11231916(1022)15423518(15)2719h691123H25H21H3b1711+
MFCD28033719
N#Cc1c(NC=C2C(=NN(C2=O)c2ccc(cc2)I)C)sc2c1CCCC2
ZINC000101112489
ZINC101112489
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